SCHEMBL7601066

SCHEMBL7601066

C=Cc1ccc(CC(=O)Nc2ccccc2Oc2ccc(S(=O)(=O)c3ccc(Oc4ccccc4NC(=O)Cc4ccc(C=C)c(OC)c4)cc3)cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GFER P55789 1/20 0.46
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
SGMS1 Q86VZ5 1/20 0.42
MTNR1B P49286 1/20 0.42
RAB9A P51151 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7602716 0.90 ALDH1A1 (0.53) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7602651 0.90 GAA (0.52) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7601793 0.89 ALDH1A1 (0.50) ALDH1A1GAALMNACA12CA1
SCHEMBL7598422 0.84 ALDH1A1 (0.48) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7602530 0.84 GAA (0.59) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7599812 0.83 GAA (0.56) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7598284 0.82 GAA (0.50) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL27321163 0.76 GAA (0.60) GAAKMT2AMEN1GFERPOLB
SCHEMBL7599022 0.75 GAA (0.56) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7603048 0.75 CYP1A2 (0.53) ALDH1A1POLBLMNANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0913713-B1 Crosslinkable compound and an optical material employing it MENICON CO LTD (JP) 2002-12-18 EP disclosed
US-6015874-A CURING AGENT FOR HYDROPHILIC, TRANSPARENT, DURABLE POLYMERIC CONTACT OR INTRAOCULAR LENSES WHICH ALSO ABSORB ULTRA VIOLET RADIATION AND ARE OXYGEN PERMEABLE MENICON CO., LTD. (JP) 2000-01-18 US disclosed
EP-0913713-A2 Crosslinkable compound and an optical material employing it Menicon Co., Ltd. (JP) 1999-05-06 EP disclosed